N-(3,4-dimethylphenyl)-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
N-(3,4-dimethylphenyl)-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | F367-0049 |
Compound Name: | N-(3,4-dimethylphenyl)-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide |
Molecular Weight: | 435.55 |
Molecular Formula: | C23 H25 N5 O2 S |
Smiles: | CC(C)CN1C(c2ccccc2n2c1nnc2SCC(Nc1ccc(C)c(C)c1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5216 |
logD: | 4.5216 |
logSw: | -4.2664 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.733 |
InChI Key: | KJQKXQCCNDBKHX-UHFFFAOYSA-N |